2,4,4,5,5-pentamethyl-2-phenyl-1,3,2,4,5-dithiatrisilolane

C11H20S2Si3 — CID 101044204

IUPAC2,4,4,5,5-pentamethyl-2-phenyl-1,3,2,4,5-dithiatrisilolane
SMILESC[Si]1(c2ccccc2)S[Si](C)(C)[Si](C)(C)S1
InChIInChI=1S/C11H20S2Si3/c1-14(2)12-16(5,13-15(14,3)4)11-9-7-6-8-10-11/h6-10H,1-5H3
InChIKeyDLDWOQQCCRUALM-UHFFFAOYSA-N
MW300.67 g/mol
LogP3.93
Rot. Bonds1

About 2,4,4,5,5-pentamethyl-2-phenyl-1,3,2,4,5-dithiatrisilolane

2,4,4,5,5-pentamethyl-2-phenyl-1,3,2,4,5-dithiatrisilolane (PubChem CID 101044204) has the molecular formula C11H20S2Si3 and a molecular weight of 300.67 g/mol. Its IUPAC name is 2,4,4,5,5-pentamethyl-2-phenyl-1,3,2,4,5-dithiatrisilolane.

Molecular Properties

Compound Name2,4,4,5,5-pentamethyl-2-phenyl-1,3,2,4,5-dithiatrisilolane
PubChem CID101044204
Molecular FormulaC11H20S2Si3
Molecular Weight300.67 g/mol
Exact Mass300.03
IUPAC Name2,4,4,5,5-pentamethyl-2-phenyl-1,3,2,4,5-dithiatrisilolane
SMILESC[Si]1(c2ccccc2)S[Si](C)(C)[Si](C)(C)S1
InChIInChI=1S/C11H20S2Si3/c1-14(2)12-16(5,13-15(14,3)4)11-9-7-6-8-10-11/h6-10H,1-5H3
InChIKeyDLDWOQQCCRUALM-UHFFFAOYSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.67
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2,4,6-trimethyl-2,4,6-triphenyl-1,3,5,2,4,6-trithiatrisilinane
CID 15717312
1,1,2,2,3,3,4,4,5-nonamethyl-5-phenylpentasilolane
CID 13004938
2,4,6,8-tetramethyl-2,4,6,8-tetraphenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 6487
3-methyl-3-phenyldioxasilirane
CID 57317747
4-methyl-4-phenyl-1,4-azasilinane
CID 66925910
2,2,6,6-tetramethyl-4,4,8,8-tetraphenyl-1,3,5,7,2,4,6,8-tetrazatetrasilocane
CID 12550610
(1S,3S,4R)-1,3,4,6-tetramethyl-3,6-diphenyl-2,5,7-tritellura-1,3,4,6-tetrasilabicyclo[2.2.1]heptane
CID 177387413
2,2-dimethyl-1,1,3,3-tetraphenyl-4,7-dihydrotrisilepine
CID 177288427
2,2,4,4,6,6-hexamethyl-8,8,10,10-tetraphenyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane
CID 6429726
1,1,2,6,6,7-hexamethyl-2,7-diphenyl-1,2,6,7-tetrasilecane
CID 11729896
2-ethyl-2-methyl-6-phenyl-6-sulfanyl-1,2,6-thiadisilinane
CID 71325110
2,8-dihydroxy-4,4,6,6,10,10,12,12-octamethyl-2,8-diphenyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane
CID 13425887

Frequently Asked Questions

What is the IUPAC name of 2,4,4,5,5-pentamethyl-2-phenyl-1,3,2,4,5-dithiatrisilolane?
The IUPAC name of 2,4,4,5,5-pentamethyl-2-phenyl-1,3,2,4,5-dithiatrisilolane (CID 101044204) is 2,4,4,5,5-pentamethyl-2-phenyl-1,3,2,4,5-dithiatrisilolane.
What is the SMILES notation for 2,4,4,5,5-pentamethyl-2-phenyl-1,3,2,4,5-dithiatrisilolane?
The canonical SMILES for 2,4,4,5,5-pentamethyl-2-phenyl-1,3,2,4,5-dithiatrisilolane is C[Si]1(c2ccccc2)S[Si](C)(C)[Si](C)(C)S1.
What is the InChIKey of 2,4,4,5,5-pentamethyl-2-phenyl-1,3,2,4,5-dithiatrisilolane?
The InChIKey is DLDWOQQCCRUALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20S2Si3/c1-14(2)12-16(5,13-15(14,3)4)11-9-7-6-8-10-11/h6-10H,1-5H3.
What are the key properties of 2,4,4,5,5-pentamethyl-2-phenyl-1,3,2,4,5-dithiatrisilolane?
2,4,4,5,5-pentamethyl-2-phenyl-1,3,2,4,5-dithiatrisilolane has a molecular weight of 300.67 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4,5,5-pentamethyl-2-phenyl-1,3,2,4,5-dithiatrisilolane is sourced from PubChem (CID 101044204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).